CID 20903

4771-80-6

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

C1CC(CC=C1)C(=O)O

InChI

InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)

InChIKey

VUSWCWPCANWBFG-UHFFFAOYSA-N

Compound name

cyclohex-3-ene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 3132
Patents: 126.06808 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	127.07536	125.1
[M+Na]+	149.05730	135.9
[M+NH4]+	144.10190	133.7
[M+K]+	165.03124	130.6
[M-H]-	125.06080	126.2
[M+Na-2H]-	147.04275	130.6
[M]+	126.06753	126.7
[M]-	126.06863	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe